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Ethyl 4-oxocyclohexane-1-carboxylate

CAS No.:
17159-79-4
Catalog Number:
AG0034VH
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$25
- +
Product Description
Catalog Number:
AG0034VH
Chemical Name:
Ethyl 4-oxocyclohexane-1-carboxylate
CAS Number:
17159-79-4
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD00013285
IUPAC Name:
ethyl 4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C9H14O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7H,2-6H2,1H3
InChI Key:
ZXYAWONOWHSQRU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(=O)CC1
NSC Number:
250674
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Aminodifluorosulfinium salts: selective fluorination reagents with enhanced thermal stability and ease of handling. The Journal of organic chemistry 20100521
Synthesis of novel conjugates of tetraoxane endoperoxide with bis(quaternary ammonium salts). Bioscience, biotechnology, and biochemistry 20090101
Practical synthesis of a neuropeptide Y antagonist via stereoselective addition to a ketene. The Journal of organic chemistry 20051111
Properties